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

C10H19F3N2O — CID 123911581

IUPAC1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine
SMILESCO[C@H](CC1(N)CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-16-8(10(11,12)13)6-9(15)4-2-7(14)3-5-9/h7-8H,2-6,14-15H2,1H3/t7?,8-,9?/m1/s1
InChIKeyIRWIAXLUHJGMJC-QJAFJHJLSA-N
MW240.27 g/mol
LogP1.55
Rot. Bonds3

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

1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine (PubChem CID 123911581) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine
PubChem CID123911581
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine
SMILESCO[C@H](CC1(N)CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-16-8(10(11,12)13)6-9(15)4-2-7(14)3-5-9/h7-8H,2-6,14-15H2,1H3/t7?,8-,9?/m1/s1
InChIKeyIRWIAXLUHJGMJC-QJAFJHJLSA-N
XLogP1.55
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclohexyl-3-(difluoromethoxy)propan-1-amine
CID 84722392
4-(2,2,2-Trifluoro-1-methoxyethyl)cyclohexan-1-amine
CID 84734535
4-(3,3,3-Trifluoro-2-methoxypropyl)cyclohexan-1-amine
CID 84735636
1-[4-(3,3,3-Trifluoro-2-methoxypropyl)cyclohexyl]ethanamine
CID 84737864
1-[4-(3,3,3-Trifluoro-2-methoxypropyl)cyclohexyl]propan-2-amine
CID 84738556
1-(2-Methoxyethyl)cyclohexane-1,4-diamine
CID 69350078

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine (CID 123911581) is 1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine is CO[C@H](CC1(N)CCC(N)CC1)C(F)(F)F.
What is the InChIKey of 1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine?
The InChIKey is IRWIAXLUHJGMJC-QJAFJHJLSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-8(10(11,12)13)6-9(15)4-2-7(14)3-5-9/h7-8H,2-6,14-15H2,1H3/t7?,8-,9?/m1/s1.
What are the key properties of 1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine?
1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 123911581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).