2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol

C14H27F2NO — CID 106173006

IUPAC2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol
SMILESCCC(C)(C)C1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C14H27F2NO/c1-4-13(2,3)11-5-7-12(8-6-11)17-9-14(15,16)10-18/h11-12,17-18H,4-10H2,1-3H3
InChIKeyLHJPWVDDTXCQPP-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.20
Rot. Bonds6

About 2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol

2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol (PubChem CID 106173006) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol
PubChem CID106173006
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol
SMILESCCC(C)(C)C1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C14H27F2NO/c1-4-13(2,3)11-5-7-12(8-6-11)17-9-14(15,16)10-18/h11-12,17-18H,4-10H2,1-3H3
InChIKeyLHJPWVDDTXCQPP-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol with MolForge

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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 2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol (CID 106173006) is 2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol is CCC(C)(C)C1CCC(NCC(F)(F)CO)CC1.
What is the InChIKey of 2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol?
The InChIKey is LHJPWVDDTXCQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-13(2,3)11-5-7-12(8-6-11)17-9-14(15,16)10-18/h11-12,17-18H,4-10H2,1-3H3.
What are the key properties of 2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol?
2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol has a molecular weight of 263.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 106173006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).