(4-fluorocyclohexyl)carbamic acid

C7H12FNO2 — CID 22224995

IUPAC(4-fluorocyclohexyl)carbamic acid
SMILESO=C(O)NC1CCC(F)CC1
InChIInChI=1S/C7H12FNO2/c8-5-1-3-6(4-2-5)9-7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyHMXYKFXPLPTCKF-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.53
Rot. Bonds1

About (4-fluorocyclohexyl)carbamic acid

(4-fluorocyclohexyl)carbamic acid (PubChem CID 22224995) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is (4-fluorocyclohexyl)carbamic acid.

Molecular Properties

Compound Name(4-fluorocyclohexyl)carbamic acid
PubChem CID22224995
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name(4-fluorocyclohexyl)carbamic acid
SMILESO=C(O)NC1CCC(F)CC1
InChIInChI=1S/C7H12FNO2/c8-5-1-3-6(4-2-5)9-7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyHMXYKFXPLPTCKF-UHFFFAOYSA-N
XLogP1.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexyl)carbamic acid?
The IUPAC name of (4-fluorocyclohexyl)carbamic acid (CID 22224995) is (4-fluorocyclohexyl)carbamic acid.
What is the SMILES notation for (4-fluorocyclohexyl)carbamic acid?
The canonical SMILES for (4-fluorocyclohexyl)carbamic acid is O=C(O)NC1CCC(F)CC1.
What is the InChIKey of (4-fluorocyclohexyl)carbamic acid?
The InChIKey is HMXYKFXPLPTCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-5-1-3-6(4-2-5)9-7(10)11/h5-6,9H,1-4H2,(H,10,11).
What are the key properties of (4-fluorocyclohexyl)carbamic acid?
(4-fluorocyclohexyl)carbamic acid has a molecular weight of 161.18 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexyl)carbamic acid is sourced from PubChem (CID 22224995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).