(2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine

C14H22F3N — CID 142543505

IUPAC(2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)N[C@](C)(CC1=CC=CCC1)CC(F)(F)F
InChIInChI=1S/C14H22F3N/c1-11(2)18-13(3,10-14(15,16)17)9-12-7-5-4-6-8-12/h4-5,7,11,18H,6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyMOKWNQNEAMUMEL-CYBMUJFWSA-N
MW261.33 g/mol
LogP4.36
Rot. Bonds5

About (2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine

(2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 142543505) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is (2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name(2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine
PubChem CID142543505
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name(2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)N[C@](C)(CC1=CC=CCC1)CC(F)(F)F
InChIInChI=1S/C14H22F3N/c1-11(2)18-13(3,10-14(15,16)17)9-12-7-5-4-6-8-12/h4-5,7,11,18H,6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyMOKWNQNEAMUMEL-CYBMUJFWSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of (2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine (CID 142543505) is (2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for (2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for (2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine is CC(C)N[C@](C)(CC1=CC=CCC1)CC(F)(F)F.
What is the InChIKey of (2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is MOKWNQNEAMUMEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22F3N/c1-11(2)18-13(3,10-14(15,16)17)9-12-7-5-4-6-8-12/h4-5,7,11,18H,6,8-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine?
(2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 261.33 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclohexa-1,3-dien-1-yl-4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 142543505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).