(2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine

C14H18ClF4N — CID 139310728

IUPAC(2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine
SMILESCC(C)c1cc(CCC[C@@H](N)C(F)(F)F)cc(Cl)c1F
InChIInChI=1S/C14H18ClF4N/c1-8(2)10-6-9(7-11(15)13(10)16)4-3-5-12(20)14(17,18)19/h6-8,12H,3-5,20H2,1-2H3/t12-/m1/s1
InChIKeyFMLZXDZNGDIXEC-GFCCVEGCSA-N
MW311.75 g/mol
LogP4.81
Rot. Bonds5

About (2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine

(2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine (PubChem CID 139310728) has the molecular formula C14H18ClF4N and a molecular weight of 311.75 g/mol. Its IUPAC name is (2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine.

Molecular Properties

Compound Name(2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine
PubChem CID139310728
Molecular FormulaC14H18ClF4N
Molecular Weight311.75 g/mol
Exact Mass311.11
IUPAC Name(2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine
SMILESCC(C)c1cc(CCC[C@@H](N)C(F)(F)F)cc(Cl)c1F
InChIInChI=1S/C14H18ClF4N/c1-8(2)10-6-9(7-11(15)13(10)16)4-3-5-12(20)14(17,18)19/h6-8,12H,3-5,20H2,1-2H3/t12-/m1/s1
InChIKeyFMLZXDZNGDIXEC-GFCCVEGCSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine?
The IUPAC name of (2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine (CID 139310728) is (2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine.
What is the SMILES notation for (2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine?
The canonical SMILES for (2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine is CC(C)c1cc(CCC[C@@H](N)C(F)(F)F)cc(Cl)c1F.
What is the InChIKey of (2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine?
The InChIKey is FMLZXDZNGDIXEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18ClF4N/c1-8(2)10-6-9(7-11(15)13(10)16)4-3-5-12(20)14(17,18)19/h6-8,12H,3-5,20H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine?
(2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine has a molecular weight of 311.75 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine is sourced from PubChem (CID 139310728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).