1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol

C12H22F3NO — CID 62624111

IUPAC1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H22F3NO/c1-11(2,3)10(17)6-7-16(9-4-5-9)8-12(13,14)15/h9-10,17H,4-8H2,1-3H3
InChIKeyWWYGGBZSAGKZNH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.81
Rot. Bonds5

About 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol

1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol (PubChem CID 62624111) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
PubChem CID62624111
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H22F3NO/c1-11(2,3)10(17)6-7-16(9-4-5-9)8-12(13,14)15/h9-10,17H,4-8H2,1-3H3
InChIKeyWWYGGBZSAGKZNH-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624455
1-[cyclopentyl(2-hydroxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624115
1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 55098237
1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630833
1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
CID 62623569
2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol
CID 64826690
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426642
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
CID 62271774
N'-cyclopropyl-N-(1-cyclopropylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555483
4-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 114762519
N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 65233366

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol (CID 62624111) is 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol is CC(C)(C)C(O)CCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol?
The InChIKey is WWYGGBZSAGKZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-11(2,3)10(17)6-7-16(9-4-5-9)8-12(13,14)15/h9-10,17H,4-8H2,1-3H3.
What are the key properties of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol?
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol has a molecular weight of 253.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62624111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).