1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol

C9H18F3NO — CID 83917006

IUPAC1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol
SMILESCC(C)(C)CC(O)(CCN)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2,3)6-8(14,4-5-13)9(10,11)12/h14H,4-6,13H2,1-3H3
InChIKeyCDVXAWQPMJUJHT-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.06
Rot. Bonds3

About 1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol

1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol (PubChem CID 83917006) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol.

Molecular Properties

Compound Name1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol
PubChem CID83917006
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol
SMILESCC(C)(C)CC(O)(CCN)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2,3)6-8(14,4-5-13)9(10,11)12/h14H,4-6,13H2,1-3H3
InChIKeyCDVXAWQPMJUJHT-UHFFFAOYSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol?
The IUPAC name of 1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol (CID 83917006) is 1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol.
What is the SMILES notation for 1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol?
The canonical SMILES for 1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol is CC(C)(C)CC(O)(CCN)C(F)(F)F.
What is the InChIKey of 1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol?
The InChIKey is CDVXAWQPMJUJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(2,3)6-8(14,4-5-13)9(10,11)12/h14H,4-6,13H2,1-3H3.
What are the key properties of 1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol?
1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol has a molecular weight of 213.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,5-dimethyl-3-(trifluoromethyl)hexan-3-ol is sourced from PubChem (CID 83917006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).