1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol

C10H20F3NO — CID 89162252

IUPAC1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol
SMILESCCC(CC(O)C(F)(F)F)NCC(C)C
InChIInChI=1S/C10H20F3NO/c1-4-8(14-6-7(2)3)5-9(15)10(11,12)13/h7-9,14-15H,4-6H2,1-3H3
InChIKeyBBWBRZNXNFMARK-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.32
Rot. Bonds6

About 1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol

1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol (PubChem CID 89162252) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol
PubChem CID89162252
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol
SMILESCCC(CC(O)C(F)(F)F)NCC(C)C
InChIInChI=1S/C10H20F3NO/c1-4-8(14-6-7(2)3)5-9(15)10(11,12)13/h7-9,14-15H,4-6H2,1-3H3
InChIKeyBBWBRZNXNFMARK-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-5-(methylamino)hexan-3-ol
CID 87223753
1,1,1-Trifluoro-4-(methylamino)hexan-2-ol
CID 117736610
4-Amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol
CID 123310272
(3S)-2-(4,4,4-trifluorobutylamino)hexan-3-ol
CID 146647597
(2S,4R)-1,1,1-trifluoro-2-(methylamino)decan-4-ol
CID 14379913
(2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol
CID 14379914
5,5,5-Trifluoro-4-(methylamino)pentan-2-ol
CID 55282387
4-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045848
2-(2,2-Difluoroethylamino)-4-methylpentan-1-ol
CID 61246577
3-Ethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61317520
3-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61319551
4-Methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol
CID 63900038

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol (CID 89162252) is 1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol is CCC(CC(O)C(F)(F)F)NCC(C)C.
What is the InChIKey of 1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol?
The InChIKey is BBWBRZNXNFMARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-8(14-6-7(2)3)5-9(15)10(11,12)13/h7-9,14-15H,4-6H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol?
1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol has a molecular weight of 227.27 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(2-methylpropylamino)hexan-2-ol is sourced from PubChem (CID 89162252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).