(1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine

C10H9F6NO — CID 171312588

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)ccc1[C@@H](N)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F6NO/c1-18-7-4-5(11)2-3-6(7)8(17)9(12,13)10(14,15)16/h2-4,8H,17H2,1H3/t8-/m1/s1
InChIKeyCLZSCHVKAMFNQY-MRVPVSSYSA-N
MW273.18 g/mol
LogP3.03
Rot. Bonds3

About (1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine

(1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 171312588) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
PubChem CID171312588
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)ccc1[C@@H](N)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F6NO/c1-18-7-4-5(11)2-3-6(7)8(17)9(12,13)10(14,15)16/h2-4,8H,17H2,1H3/t8-/m1/s1
InChIKeyCLZSCHVKAMFNQY-MRVPVSSYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 53.03
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

4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride
CID 171312191
2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 62867617
(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 171312665
(1S)-1-(2-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311553
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312687
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
(1R)-1-(2-bromo-4-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312209
(1S)-1-(2-chloro-4-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311611
methyl (2S)-2-amino-2-(4-fluoro-2-methoxyphenyl)acetate;hydrochloride
CID 171205347
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311975

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine (CID 171312588) is (1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine is COc1cc(F)ccc1[C@@H](N)C(F)(F)C(F)(F)F.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is CLZSCHVKAMFNQY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9F6NO/c1-18-7-4-5(11)2-3-6(7)8(17)9(12,13)10(14,15)16/h2-4,8H,17H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine?
(1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 273.18 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 171312588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).