[1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol

C10H19F2NO — CID 62552847

IUPAC[1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCC(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-8-2-4-10(7-14,5-3-8)13-6-9(11)12/h8-9,13-14H,2-7H2,1H3
InChIKeyBJJZMUPYAGUZNG-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.78
Rot. Bonds4

About [1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol

[1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol (PubChem CID 62552847) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is [1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol
PubChem CID62552847
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name[1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCC(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-8-2-4-10(7-14,5-3-8)13-6-9(11)12/h8-9,13-14H,2-7H2,1H3
InChIKeyBJJZMUPYAGUZNG-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol (CID 62552847) is [1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol is CC1CCC(CO)(NCC(F)F)CC1.
What is the InChIKey of [1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol?
The InChIKey is BJJZMUPYAGUZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8-2-4-10(7-14,5-3-8)13-6-9(11)12/h8-9,13-14H,2-7H2,1H3.
What are the key properties of [1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol?
[1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol has a molecular weight of 207.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 62552847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).