9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate

C26H19F6NO2 — CID 169470525

IUPAC9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H19F6NO2/c27-25(28,29)17-12-16(13-18(14-17)26(30,31)32)6-5-11-33-24(34)35-15-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-10,12-14,23H,11,15H2,(H,33,34)
InChIKeyVGYKYAXSSCFAGW-UHFFFAOYSA-N
MW491.43 g/mol
LogP7.28
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169470525) has the molecular formula C26H19F6NO2 and a molecular weight of 491.43 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate
PubChem CID169470525
Molecular FormulaC26H19F6NO2
Molecular Weight491.43 g/mol
Exact Mass491.13
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H19F6NO2/c27-25(28,29)17-12-16(13-18(14-17)26(30,31)32)6-5-11-33-24(34)35-15-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-10,12-14,23H,11,15H2,(H,33,34)
InChIKeyVGYKYAXSSCFAGW-UHFFFAOYSA-N
XLogP7.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.43
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-enyl]-5-(trifluoromethyl)benzoic acid
CID 170493168
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-(trifluoromethyl)benzoic acid
CID 169470470
9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 169469934
9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169470410
9H-fluoren-9-ylmethyl N-[3-[4-amino-3-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169470459
9H-fluoren-9-ylmethyl N-[3-[3-methoxy-4-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470404
9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169470711
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate
CID 169469467
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenyl]-2-methylpropanoic acid
CID 169470392
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate (CID 169470525) is 9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate is O=C(NCC=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is VGYKYAXSSCFAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F6NO2/c27-25(28,29)17-12-16(13-18(14-17)26(30,31)32)6-5-11-33-24(34)35-15-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-10,12-14,23H,11,15H2,(H,33,34).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 491.43 g/mol, XLogP of 7.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169470525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).