1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol

C10H19F3N2O — CID 107403813

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(C(CN)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-9(16)3-2-5-15(6-4-9)8(7-14)10(11,12)13/h8,16H,2-7,14H2,1H3
InChIKeyLURKWUXNWFGMFK-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.11
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol

1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol (PubChem CID 107403813) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol
PubChem CID107403813
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(C(CN)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-9(16)3-2-5-15(6-4-9)8(7-14)10(11,12)13/h8,16H,2-7,14H2,1H3
InChIKeyLURKWUXNWFGMFK-UHFFFAOYSA-N
XLogP1.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 86327569
3-(4,4-dimethylazepan-1-yl)-4,4,4-trifluorobutan-1-amine
CID 65283826
1-(3-hydroxybutan-2-yl)-4-methylazepan-4-ol
CID 107407212
2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 131101567
1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355425
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-4-ol
CID 103366417
1-[2-amino-1-(4-chlorophenyl)ethyl]-4-methylazepan-4-ol
CID 107403850
2-(4-ethylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 43752641
4-methyl-1-pentan-2-ylazepan-4-ol
CID 107886062
4-methyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 107407980
2-(4-cyclopropylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 61440127
1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol
CID 107408062

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol (CID 107403813) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol is CC1(O)CCCN(C(CN)C(F)(F)F)CC1.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol?
The InChIKey is LURKWUXNWFGMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(16)3-2-5-15(6-4-9)8(7-14)10(11,12)13/h8,16H,2-7,14H2,1H3.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol?
1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol has a molecular weight of 240.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107403813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).