(4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid

C10H17F2NO3 — CID 69262805

IUPAC(4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid
SMILESCC(CO)N(C(=O)O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO3/c1-7(6-14)13(9(15)16)8-2-4-10(11,12)5-3-8/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyWPQIZPHJFRFVLH-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.93
Rot. Bonds3

About (4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid

(4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid (PubChem CID 69262805) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid
PubChem CID69262805
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name(4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid
SMILESCC(CO)N(C(=O)O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO3/c1-7(6-14)13(9(15)16)8-2-4-10(11,12)5-3-8/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyWPQIZPHJFRFVLH-UHFFFAOYSA-N
XLogP1.93
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid?
The IUPAC name of (4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid (CID 69262805) is (4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid?
The canonical SMILES for (4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid is CC(CO)N(C(=O)O)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid?
The InChIKey is WPQIZPHJFRFVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-7(6-14)13(9(15)16)8-2-4-10(11,12)5-3-8/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of (4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid?
(4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid has a molecular weight of 237.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(1-hydroxypropan-2-yl)carbamic acid is sourced from PubChem (CID 69262805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).