4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine

C11H21F3N2O — CID 147713380

IUPAC4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine
SMILESCCO[C@H](CNC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-2-17-10(11(12,13)14)7-16-9-5-3-8(15)4-6-9/h8-10,16H,2-7,15H2,1H3/t8?,9?,10-/m1/s1
InChIKeyGVDPRKJFWHXHPD-UDNWOFFPSA-N
MW254.30 g/mol
LogP1.81
Rot. Bonds5

About 4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine

4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine (PubChem CID 147713380) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine
PubChem CID147713380
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine
SMILESCCO[C@H](CNC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-2-17-10(11(12,13)14)7-16-9-5-3-8(15)4-6-9/h8-10,16H,2-7,15H2,1H3/t8?,9?,10-/m1/s1
InChIKeyGVDPRKJFWHXHPD-UDNWOFFPSA-N
XLogP1.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine (CID 147713380) is 4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine is CCO[C@H](CNC1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of 4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine?
The InChIKey is GVDPRKJFWHXHPD-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-17-10(11(12,13)14)7-16-9-5-3-8(15)4-6-9/h8-10,16H,2-7,15H2,1H3/t8?,9?,10-/m1/s1.
What are the key properties of 4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine?
4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 147713380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).