4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol

C8H15F2NO — CID 164655200

IUPAC4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol
SMILESNC1(CC(F)F)CCC(O)CC1
InChIInChI=1S/C8H15F2NO/c9-7(10)5-8(11)3-1-6(12)2-4-8/h6-7,12H,1-5,11H2
InChIKeyMGCKNUCYWJWWLU-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.27
Rot. Bonds2

About 4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol

4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol (PubChem CID 164655200) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol
PubChem CID164655200
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol
SMILESNC1(CC(F)F)CCC(O)CC1
InChIInChI=1S/C8H15F2NO/c9-7(10)5-8(11)3-1-6(12)2-4-8/h6-7,12H,1-5,11H2
InChIKeyMGCKNUCYWJWWLU-UHFFFAOYSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethyl)cyclobutan-1-amine
CID 115011284
1-(2-cyclopropyl-2-fluoroethyl)cyclopropan-1-amine
CID 105428494
4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol
CID 164652613
4-(2,2-difluoroethyl)azepan-4-amine
CID 115015148
1-(2-cyclobutyl-2-fluoroethyl)cyclopropan-1-amine
CID 105430744
4-amino-4-propan-2-ylcyclohexan-1-ol
CID 99985687
4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol
CID 130914134
1-(2-cyclohexyl-2-fluoroethyl)cyclopropan-1-amine
CID 105441814
4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 126979079
4,4-bis(fluoromethyl)cyclohexan-1-ol
CID 90016387
4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol
CID 58380838
[1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol
CID 82009909

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol (CID 164655200) is 4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol is NC1(CC(F)F)CCC(O)CC1.
What is the InChIKey of 4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol?
The InChIKey is MGCKNUCYWJWWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-7(10)5-8(11)3-1-6(12)2-4-8/h6-7,12H,1-5,11H2.
What are the key properties of 4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol?
4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol is sourced from PubChem (CID 164655200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).