3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol

C13H25F2NO — CID 113462764

IUPAC3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol
SMILESCC(C)(C)C1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C13H25F2NO/c1-12(2,3)10-4-6-11(7-5-10)16-8-13(14,15)9-17/h10-11,16-17H,4-9H2,1-3H3
InChIKeyJCEGMCHZMLREPB-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.81
Rot. Bonds4

About 3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol

3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol (PubChem CID 113462764) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol
PubChem CID113462764
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol
SMILESCC(C)(C)C1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C13H25F2NO/c1-12(2,3)10-4-6-11(7-5-10)16-8-13(14,15)9-17/h10-11,16-17H,4-9H2,1-3H3
InChIKeyJCEGMCHZMLREPB-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Tert-butylcyclohexyl)amino]butan-1-ol
CID 2947542
2,2-Difluoro-3-(5-methylundecan-5-ylamino)propan-1-ol
CID 155450799
4,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64392531
3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 64394080
3-[[4-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64754234
2-[[4-(Trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 64754854
2-[[4-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64755873
3-[[2-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64757056
3-[[3-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758793
4-[[3-(Trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 64912571
4-[[4-(Trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 64912582
4-[[2-(Trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 64913853

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol (CID 113462764) is 3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol is CC(C)(C)C1CCC(NCC(F)(F)CO)CC1.
What is the InChIKey of 3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is JCEGMCHZMLREPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-12(2,3)10-4-6-11(7-5-10)16-8-13(14,15)9-17/h10-11,16-17H,4-9H2,1-3H3.
What are the key properties of 3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol?
3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 249.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylcyclohexyl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 113462764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).