3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

C12H20F5NO — CID 165490701

IUPAC3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCN(CC(F)F)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C12H20F5NO/c1-2-5-18(7-11(13)14)10-6-8(19)3-4-9(10)12(15,16)17/h8-11,19H,2-7H2,1H3
InChIKeyFEKUTNSNWSVWAV-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.06
Rot. Bonds5

About 3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490701) has the molecular formula C12H20F5NO and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490701
Molecular FormulaC12H20F5NO
Molecular Weight289.29 g/mol
Exact Mass289.15
IUPAC Name3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCN(CC(F)F)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C12H20F5NO/c1-2-5-18(7-11(13)14)10-6-8(19)3-4-9(10)12(15,16)17/h8-11,19H,2-7H2,1H3
InChIKeyFEKUTNSNWSVWAV-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490701) is 3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CCCN(CC(F)F)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is FEKUTNSNWSVWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F5NO/c1-2-5-18(7-11(13)14)10-6-8(19)3-4-9(10)12(15,16)17/h8-11,19H,2-7H2,1H3.
What are the key properties of 3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 289.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).