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

C14H12F5NO — CID 171311917

IUPAC(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
SMILESCOc1ccc2ccccc2c1[C@H](N)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F5NO/c1-21-10-7-6-8-4-2-3-5-9(8)11(10)12(20)13(15,16)14(17,18)19/h2-7,12H,20H2,1H3/t12-/m0/s1
InChIKeyLFOGFRVGBUPQRM-LBPRGKRZSA-N
MW305.25 g/mol
LogP4.05
Rot. Bonds3

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

(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine (PubChem CID 171311917) has the molecular formula C14H12F5NO and a molecular weight of 305.25 g/mol. Its IUPAC name is (1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
PubChem CID171311917
Molecular FormulaC14H12F5NO
Molecular Weight305.25 g/mol
Exact Mass305.08
IUPAC Name(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
SMILESCOc1ccc2ccccc2c1[C@H](N)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F5NO/c1-21-10-7-6-8-4-2-3-5-9(8)11(10)12(20)13(15,16)14(17,18)19/h2-7,12H,20H2,1H3/t12-/m0/s1
InChIKeyLFOGFRVGBUPQRM-LBPRGKRZSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol
CID 171243959
(3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 171243957
(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
CID 171212939
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
(1R)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512241
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512251
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-6-methoxyphenyl)propan-1-amine;hydrochloride
CID 171312558
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171250833
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
(R)-cyclopropyl-(2-methoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171212946

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine?
The IUPAC name of (1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine (CID 171311917) is (1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for (1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine?
The canonical SMILES for (1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine is COc1ccc2ccccc2c1[C@H](N)C(F)(F)C(F)(F)F.
What is the InChIKey of (1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine?
The InChIKey is LFOGFRVGBUPQRM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12F5NO/c1-21-10-7-6-8-4-2-3-5-9(8)11(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-(2-methoxynaphthalen-1-yl)propan-1-amine?
(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine has a molecular weight of 305.25 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 171311917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).