4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine

C10H19F3N2O — CID 66937257

IUPAC4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine
SMILESCO[C@H](CNC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-16-9(10(11,12)13)6-15-8-4-2-7(14)3-5-8/h7-9,15H,2-6,14H2,1H3/t7?,8?,9-/m1/s1
InChIKeyLPQHCWLCMKGPJH-AMDVSUOASA-N
MW240.27 g/mol
LogP1.42
Rot. Bonds4

About 4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine

4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine (PubChem CID 66937257) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine
PubChem CID66937257
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine
SMILESCO[C@H](CNC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-16-9(10(11,12)13)6-15-8-4-2-7(14)3-5-8/h7-9,15H,2-6,14H2,1H3/t7?,8?,9-/m1/s1
InChIKeyLPQHCWLCMKGPJH-AMDVSUOASA-N
XLogP1.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine (CID 66937257) is 4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine is CO[C@H](CNC1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of 4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine?
The InChIKey is LPQHCWLCMKGPJH-AMDVSUOASA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-9(10(11,12)13)6-15-8-4-2-7(14)3-5-8/h7-9,15H,2-6,14H2,1H3/t7?,8?,9-/m1/s1.
What are the key properties of 4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine?
4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 66937257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).