(3-fluorocyclohexyl) carbamate

C7H12FNO2 — CID 175956414

IUPAC(3-fluorocyclohexyl) carbamate
SMILESNC(=O)OC1CCCC(F)C1
InChIInChI=1S/C7H12FNO2/c8-5-2-1-3-6(4-5)11-7(9)10/h5-6H,1-4H2,(H2,9,10)
InChIKeyCASUESGQGKFISD-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.36
Rot. Bonds1

About (3-fluorocyclohexyl) carbamate

(3-fluorocyclohexyl) carbamate (PubChem CID 175956414) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is (3-fluorocyclohexyl) carbamate.

Molecular Properties

Compound Name(3-fluorocyclohexyl) carbamate
PubChem CID175956414
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name(3-fluorocyclohexyl) carbamate
SMILESNC(=O)OC1CCCC(F)C1
InChIInChI=1S/C7H12FNO2/c8-5-2-1-3-6(4-5)11-7(9)10/h5-6H,1-4H2,(H2,9,10)
InChIKeyCASUESGQGKFISD-UHFFFAOYSA-N
XLogP1.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3R)-3-fluorocyclopentyl] carbamate
CID 175108373
[(1S,3S)-3-carbamoylcyclohexyl] carbamate
CID 69109652
(3-fluorocyclohexyl)oxy-methylphosphinic acid
CID 175015498
[(1R,3R)-3-aminocyclopentyl] carbamate
CID 154024517
[(3S)-3-aminocyclopentyl] carbamate
CID 175196107
cyclohexyl carbamate;cyclohexylcarbamic acid
CID 161239099
(3-iodocyclobutyl) carbamate
CID 175447577
(3-hydroxycyclobutyl) carbamate;hydrochloride
CID 175125432
[3-(2-hydroxyethyl)cyclobutyl] carbamate
CID 175068010
carbonyl dichloride;fluorocyclobutane
CID 158358387
(1-carbamoylpiperidin-3-yl) carbamate
CID 175095233
(3-fluorocyclohexyl) methyl sulfate
CID 87155025

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclohexyl) carbamate?
The IUPAC name of (3-fluorocyclohexyl) carbamate (CID 175956414) is (3-fluorocyclohexyl) carbamate.
What is the SMILES notation for (3-fluorocyclohexyl) carbamate?
The canonical SMILES for (3-fluorocyclohexyl) carbamate is NC(=O)OC1CCCC(F)C1.
What is the InChIKey of (3-fluorocyclohexyl) carbamate?
The InChIKey is CASUESGQGKFISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-5-2-1-3-6(4-5)11-7(9)10/h5-6H,1-4H2,(H2,9,10).
What are the key properties of (3-fluorocyclohexyl) carbamate?
(3-fluorocyclohexyl) carbamate has a molecular weight of 161.18 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclohexyl) carbamate is sourced from PubChem (CID 175956414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).