(4,4-difluorocyclohexyl)carbamic acid

C7H11F2NO2 — CID 67528704

IUPAC(4,4-difluorocyclohexyl)carbamic acid
SMILESO=C(O)NC1CCC(F)(F)CC1
InChIInChI=1S/C7H11F2NO2/c8-7(9)3-1-5(2-4-7)10-6(11)12/h5,10H,1-4H2,(H,11,12)
InChIKeyJXPFFZOCQONRGP-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.83
Rot. Bonds1

About (4,4-difluorocyclohexyl)carbamic acid

(4,4-difluorocyclohexyl)carbamic acid (PubChem CID 67528704) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)carbamic acid.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)carbamic acid
PubChem CID67528704
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(4,4-difluorocyclohexyl)carbamic acid
SMILESO=C(O)NC1CCC(F)(F)CC1
InChIInChI=1S/C7H11F2NO2/c8-7(9)3-1-5(2-4-7)10-6(11)12/h5,10H,1-4H2,(H,11,12)
InChIKeyJXPFFZOCQONRGP-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)carbamic acid?
The IUPAC name of (4,4-difluorocyclohexyl)carbamic acid (CID 67528704) is (4,4-difluorocyclohexyl)carbamic acid.
What is the SMILES notation for (4,4-difluorocyclohexyl)carbamic acid?
The canonical SMILES for (4,4-difluorocyclohexyl)carbamic acid is O=C(O)NC1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)carbamic acid?
The InChIKey is JXPFFZOCQONRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-7(9)3-1-5(2-4-7)10-6(11)12/h5,10H,1-4H2,(H,11,12).
What are the key properties of (4,4-difluorocyclohexyl)carbamic acid?
(4,4-difluorocyclohexyl)carbamic acid has a molecular weight of 179.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)carbamic acid is sourced from PubChem (CID 67528704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).