N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide

C16H12F3NO — CID 140983294

IUPACN-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H12F3NO/c17-16(18,19)9-20-15(21)13-7-3-6-12-11-5-2-1-4-10(11)8-14(12)13/h1-7H,8-9H2,(H,20,21)
InChIKeyISBNNQIUSADOOX-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.55
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide

N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide (PubChem CID 140983294) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide
PubChem CID140983294
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC NameN-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H12F3NO/c17-16(18,19)9-20-15(21)13-7-3-6-12-11-5-2-1-4-10(11)8-14(12)13/h1-7H,8-9H2,(H,20,21)
InChIKeyISBNNQIUSADOOX-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromobutyl)-9H-fluorene-1-carboxamide
CID 121318737
3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid
CID 70613807
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide
CID 18408786
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434
benzyl 9H-fluorene-1-carboxylate
CID 148546959
2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 7535347
1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene
CID 87814844
2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 175049799
2-(9H-fluoren-1-yl)acetamide
CID 22939017

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide (CID 140983294) is N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide is O=C(NCC(F)(F)F)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide?
The InChIKey is ISBNNQIUSADOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)9-20-15(21)13-7-3-6-12-11-5-2-1-4-10(11)8-14(12)13/h1-7H,8-9H2,(H,20,21).
What are the key properties of N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide?
N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 140983294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).