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

C14H27F2NO — CID 114153770

IUPAC3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol
SMILESCC(C)(C)C1CCC(CNCC(F)(F)CO)CC1
InChIInChI=1S/C14H27F2NO/c1-13(2,3)12-6-4-11(5-7-12)8-17-9-14(15,16)10-18/h11-12,17-18H,4-10H2,1-3H3
InChIKeyQGULFNVXISPOPP-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.06
Rot. Bonds5

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

3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 114153770) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID114153770
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol
SMILESCC(C)(C)C1CCC(CNCC(F)(F)CO)CC1
InChIInChI=1S/C14H27F2NO/c1-13(2,3)12-6-4-11(5-7-12)8-17-9-14(15,16)10-18/h11-12,17-18H,4-10H2,1-3H3
InChIKeyQGULFNVXISPOPP-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol with MolForge

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Related Compounds

3-[(4-Ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901066
1,1,1-Trifluoro-3-[2-(4-methylcyclohexyl)ethylamino]propan-2-ol
CID 64226928
2-Methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 65031657
2-Methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 65034390
2-Methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 65037073
2,2-Dimethyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 81410819
2,2-Dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 81412141
2,2-Dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 81412334
2-Methyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol
CID 81412550
2-Ethyl-2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol
CID 81412627
2-Methyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol
CID 81412996
2-Ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol
CID 81413069

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol (CID 114153770) is 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol is CC(C)(C)C1CCC(CNCC(F)(F)CO)CC1.
What is the InChIKey of 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is QGULFNVXISPOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-13(2,3)12-6-4-11(5-7-12)8-17-9-14(15,16)10-18/h11-12,17-18H,4-10H2,1-3H3.
What are the key properties of 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol?
3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 263.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylcyclohexyl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 114153770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).