(1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate

C10H17F2NO2 — CID 162781236

IUPAC(1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate
SMILESNC(=O)OC(CF)C(F)C1CCCCC1
InChIInChI=1S/C10H17F2NO2/c11-6-8(15-10(13)14)9(12)7-4-2-1-3-5-7/h7-9H,1-6H2,(H2,13,14)
InChIKeyXHOMTGHORSFEBH-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.34
Rot. Bonds4

About (1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate

(1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate (PubChem CID 162781236) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is (1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate.

Molecular Properties

Compound Name(1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate
PubChem CID162781236
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name(1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate
SMILESNC(=O)OC(CF)C(F)C1CCCCC1
InChIInChI=1S/C10H17F2NO2/c11-6-8(15-10(13)14)9(12)7-4-2-1-3-5-7/h7-9H,1-6H2,(H2,13,14)
InChIKeyXHOMTGHORSFEBH-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate?
The IUPAC name of (1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate (CID 162781236) is (1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate.
What is the SMILES notation for (1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate?
The canonical SMILES for (1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate is NC(=O)OC(CF)C(F)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate?
The InChIKey is XHOMTGHORSFEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-6-8(15-10(13)14)9(12)7-4-2-1-3-5-7/h7-9H,1-6H2,(H2,13,14).
What are the key properties of (1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate?
(1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate has a molecular weight of 221.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-1,3-difluoropropan-2-yl) carbamate is sourced from PubChem (CID 162781236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).