[4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate

C10H18F2N2O2 — CID 175003378

IUPAC[4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate
SMILESCC(NC1CCC(OC(N)=O)CC1)C(F)F
InChIInChI=1S/C10H18F2N2O2/c1-6(9(11)12)14-7-2-4-8(5-3-7)16-10(13)15/h6-9,14H,2-5H2,1H3,(H2,13,15)
InChIKeyUBYJKGWFBDBZGL-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.64
Rot. Bonds4

About [4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate

[4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate (PubChem CID 175003378) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is [4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate
PubChem CID175003378
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name[4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate
SMILESCC(NC1CCC(OC(N)=O)CC1)C(F)F
InChIInChI=1S/C10H18F2N2O2/c1-6(9(11)12)14-7-2-4-8(5-3-7)16-10(13)15/h6-9,14H,2-5H2,1H3,(H2,13,15)
InChIKeyUBYJKGWFBDBZGL-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate?
The IUPAC name of [4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate (CID 175003378) is [4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate.
What is the SMILES notation for [4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate?
The canonical SMILES for [4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate is CC(NC1CCC(OC(N)=O)CC1)C(F)F.
What is the InChIKey of [4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate?
The InChIKey is UBYJKGWFBDBZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-6(9(11)12)14-7-2-4-8(5-3-7)16-10(13)15/h6-9,14H,2-5H2,1H3,(H2,13,15).
What are the key properties of [4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate?
[4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate has a molecular weight of 236.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-difluoropropan-2-ylamino)cyclohexyl] carbamate is sourced from PubChem (CID 175003378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).