4-amino-1,1,1-trifluorohexan-3-ol

C6H12F3NO — CID 20671603

IUPAC4-amino-1,1,1-trifluorohexan-3-ol
SMILESCCC(N)C(O)CC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-4(10)5(11)3-6(7,8)9/h4-5,11H,2-3,10H2,1H3
InChIKeyHYUKSKYSNGXNQP-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.04
Rot. Bonds3

About 4-amino-1,1,1-trifluorohexan-3-ol

4-amino-1,1,1-trifluorohexan-3-ol (PubChem CID 20671603) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-amino-1,1,1-trifluorohexan-3-ol.

Molecular Properties

Compound Name4-amino-1,1,1-trifluorohexan-3-ol
PubChem CID20671603
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name4-amino-1,1,1-trifluorohexan-3-ol
SMILESCCC(N)C(O)CC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-4(10)5(11)3-6(7,8)9/h4-5,11H,2-3,10H2,1H3
InChIKeyHYUKSKYSNGXNQP-UHFFFAOYSA-N
XLogP1.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1-trifluorohexan-3-ol?
The IUPAC name of 4-amino-1,1,1-trifluorohexan-3-ol (CID 20671603) is 4-amino-1,1,1-trifluorohexan-3-ol.
What is the SMILES notation for 4-amino-1,1,1-trifluorohexan-3-ol?
The canonical SMILES for 4-amino-1,1,1-trifluorohexan-3-ol is CCC(N)C(O)CC(F)(F)F.
What is the InChIKey of 4-amino-1,1,1-trifluorohexan-3-ol?
The InChIKey is HYUKSKYSNGXNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-2-4(10)5(11)3-6(7,8)9/h4-5,11H,2-3,10H2,1H3.
What are the key properties of 4-amino-1,1,1-trifluorohexan-3-ol?
4-amino-1,1,1-trifluorohexan-3-ol has a molecular weight of 171.16 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1-trifluorohexan-3-ol is sourced from PubChem (CID 20671603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).