3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride

C7H15ClF3NO — CID 23290106

IUPAC3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride
SMILESCC(C)CC(N)C(O)C(F)(F)F.Cl
InChIInChI=1S/C7H14F3NO.ClH/c1-4(2)3-5(11)6(12)7(8,9)10;/h4-6,12H,3,11H2,1-2H3;1H
InChIKeySGCMXGJLZCBBDU-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.70
Rot. Bonds3

About 3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride

3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride (PubChem CID 23290106) has the molecular formula C7H15ClF3NO and a molecular weight of 221.65 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride
PubChem CID23290106
Molecular FormulaC7H15ClF3NO
Molecular Weight221.65 g/mol
Exact Mass221.08
IUPAC Name3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride
SMILESCC(C)CC(N)C(O)C(F)(F)F.Cl
InChIInChI=1S/C7H14F3NO.ClH/c1-4(2)3-5(11)6(12)7(8,9)10;/h4-6,12H,3,11H2,1-2H3;1H
InChIKeySGCMXGJLZCBBDU-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hexanol, 4-amino-2-methyl-
CID 44674
3-Amino-1,1,1-trifluoro-5-methylhexan-2-ol
CID 4001149
(2R,3S)-3-amino-5-methylhexan-2-ol
CID 13949647
3-Amino-5-methyl-hexan-2-ol
CID 44309735
(2S,3S)-3-amino-5-methylhexan-2-ol
CID 91056758
3-Amino-1,1,1-trifluoro-4-methylpentan-2-ol
CID 14503246
(2S,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol
CID 14503248
(2R,3R)-2-amino-1,1,1-trifluoro-4-methylpentan-3-ol
CID 15203565
(2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol
CID 2376727
(2R,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol
CID 2376732
2-Amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol
CID 9834465
rel-(2R,3S)-3-Amino-1,1,1-trifluoro-4-methylpentan-2-ol
CID 10559088

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride?
The IUPAC name of 3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride (CID 23290106) is 3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride is CC(C)CC(N)C(O)C(F)(F)F.Cl.
What is the InChIKey of 3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride?
The InChIKey is SGCMXGJLZCBBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO.ClH/c1-4(2)3-5(11)6(12)7(8,9)10;/h4-6,12H,3,11H2,1-2H3;1H.
What are the key properties of 3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride?
3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride has a molecular weight of 221.65 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-5-methylhexan-2-ol;hydrochloride is sourced from PubChem (CID 23290106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).