[1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid

C10H17F2NO3 — CID 67190906

IUPAC[1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid
SMILESO=C(O)NC(CO)CC1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO3/c11-10(12)3-1-7(2-4-10)5-8(6-14)13-9(15)16/h7-8,13-14H,1-6H2,(H,15,16)
InChIKeyUFQKOUKFLAVBSX-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.83
Rot. Bonds4

About [1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid

[1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid (PubChem CID 67190906) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is [1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid
PubChem CID67190906
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name[1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid
SMILESO=C(O)NC(CO)CC1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO3/c11-10(12)3-1-7(2-4-10)5-8(6-14)13-9(15)16/h7-8,13-14H,1-6H2,(H,15,16)
InChIKeyUFQKOUKFLAVBSX-UHFFFAOYSA-N
XLogP1.83
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid?
The IUPAC name of [1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid (CID 67190906) is [1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid?
The canonical SMILES for [1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid is O=C(O)NC(CO)CC1CCC(F)(F)CC1.
What is the InChIKey of [1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid?
The InChIKey is UFQKOUKFLAVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c11-10(12)3-1-7(2-4-10)5-8(6-14)13-9(15)16/h7-8,13-14H,1-6H2,(H,15,16).
What are the key properties of [1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid?
[1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid has a molecular weight of 237.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4-difluorocyclohexyl)-3-hydroxypropan-2-yl]carbamic acid is sourced from PubChem (CID 67190906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).