(1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine

C14H12F5N — CID 171311782

IUPAC(1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
SMILESCc1ccc([C@H](N)C(F)(F)C(F)(F)F)c2ccccc12
InChIInChI=1S/C14H12F5N/c1-8-6-7-11(10-5-3-2-4-9(8)10)12(20)13(15,16)14(17,18)19/h2-7,12H,20H2,1H3/t12-/m0/s1
InChIKeyDHKZYGTYUCVHQC-LBPRGKRZSA-N
MW289.25 g/mol
LogP4.35
Rot. Bonds2

About (1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine

(1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine (PubChem CID 171311782) has the molecular formula C14H12F5N and a molecular weight of 289.25 g/mol. Its IUPAC name is (1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
PubChem CID171311782
Molecular FormulaC14H12F5N
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name(1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
SMILESCc1ccc([C@H](N)C(F)(F)C(F)(F)F)c2ccccc12
InChIInChI=1S/C14H12F5N/c1-8-6-7-11(10-5-3-2-4-9(8)10)12(20)13(15,16)14(17,18)19/h2-7,12H,20H2,1H3/t12-/m0/s1
InChIKeyDHKZYGTYUCVHQC-LBPRGKRZSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171242641
(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride
CID 171312531
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-1-ylpropan-1-amine;hydrochloride
CID 171312597
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
(1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171313788
(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171312426
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]phenol
CID 131473410
(1S)-1-(2,6-dimethylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311616
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
CID 171269449
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539
(S)-(4-methylnaphthalen-1-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171242636

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine?
The IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine (CID 171311782) is (1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for (1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine?
The canonical SMILES for (1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine is Cc1ccc([C@H](N)C(F)(F)C(F)(F)F)c2ccccc12.
What is the InChIKey of (1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine?
The InChIKey is DHKZYGTYUCVHQC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12F5N/c1-8-6-7-11(10-5-3-2-4-9(8)10)12(20)13(15,16)14(17,18)19/h2-7,12H,20H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine?
(1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine has a molecular weight of 289.25 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 171311782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).