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

C10H17F2NO3 — CID 69262808

IUPAC[1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO3/c1-6(13-9(15)16)8(14)7-2-4-10(11,12)5-3-7/h6-8,13-14H,2-5H2,1H3,(H,15,16)
InChIKeySVKCTTPZURTUMX-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.83
Rot. Bonds3

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

[1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid (PubChem CID 69262808) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is [1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid
PubChem CID69262808
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name[1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO3/c1-6(13-9(15)16)8(14)7-2-4-10(11,12)5-3-7/h6-8,13-14H,2-5H2,1H3,(H,15,16)
InChIKeySVKCTTPZURTUMX-UHFFFAOYSA-N
XLogP1.83
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
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)-1-hydroxypropan-2-yl]carbamic acid?
The IUPAC name of [1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid (CID 69262808) is [1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid?
The canonical SMILES for [1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid is CC(NC(=O)O)C(O)C1CCC(F)(F)CC1.
What is the InChIKey of [1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid?
The InChIKey is SVKCTTPZURTUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-6(13-9(15)16)8(14)7-2-4-10(11,12)5-3-7/h6-8,13-14H,2-5H2,1H3,(H,15,16).
What are the key properties of [1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid?
[1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid has a molecular weight of 237.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4-difluorocyclohexyl)-1-hydroxypropan-2-yl]carbamic acid is sourced from PubChem (CID 69262808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).