9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate

C19H19F2NO2 — CID 164675149

IUPAC9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
SMILESO=C(NCCCC(F)F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19F2NO2/c20-18(21)10-5-11-22-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)
InChIKeyKFEWNQHSRBSCES-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.57
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate

9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate (PubChem CID 164675149) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
PubChem CID164675149
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
SMILESO=C(NCCCC(F)F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19F2NO2/c20-18(21)10-5-11-22-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)
InChIKeyKFEWNQHSRBSCES-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate
CID 145385577
(2S)-2-azaniumyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 7019763
9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate
CID 155761964
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
CID 22492775
(2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75409974
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-[2-(4,4-dihydroxybutylamino)-2-oxoethyl]carbamate
CID 139455954
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 71250242

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate (CID 164675149) is 9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate is O=C(NCCCC(F)F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate?
The InChIKey is KFEWNQHSRBSCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c20-18(21)10-5-11-22-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23).
What are the key properties of 9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate?
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate has a molecular weight of 331.36 g/mol, XLogP of 4.57, 6 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-(4,4-difluorobutyl)carbamate is sourced from PubChem (CID 164675149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).