(2R)-4-(2,3-difluorophenyl)butan-2-amine

C10H13F2N — CID 93318671

IUPAC(2R)-4-(2,3-difluorophenyl)butan-2-amine
SMILESC[C@@H](N)CCc1cccc(F)c1F
InChIInChI=1S/C10H13F2N/c1-7(13)5-6-8-3-2-4-9(11)10(8)12/h2-4,7H,5-6,13H2,1H3/t7-/m1/s1
InChIKeyDWBIWTROUUQESH-SSDOTTSWSA-N
MW185.22 g/mol
LogP2.24
Rot. Bonds3

About (2R)-4-(2,3-difluorophenyl)butan-2-amine

(2R)-4-(2,3-difluorophenyl)butan-2-amine (PubChem CID 93318671) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is (2R)-4-(2,3-difluorophenyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(2,3-difluorophenyl)butan-2-amine
PubChem CID93318671
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name(2R)-4-(2,3-difluorophenyl)butan-2-amine
SMILESC[C@@H](N)CCc1cccc(F)c1F
InChIInChI=1S/C10H13F2N/c1-7(13)5-6-8-3-2-4-9(11)10(8)12/h2-4,7H,5-6,13H2,1H3/t7-/m1/s1
InChIKeyDWBIWTROUUQESH-SSDOTTSWSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)-4-methylpentan-3-amine
CID 43659052
4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine
CID 117046777
5-amino-1-(2,3-difluorophenyl)hexan-2-one
CID 116571825
4-(2,3-difluoro-4-methylphenyl)butan-2-amine
CID 107514336
1-(4-chloropentyl)-2,3-difluorobenzene
CID 64516100
6-amino-1-(2,3-difluorophenyl)heptan-2-one
CID 116610280
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
4-(2-fluoro-4-iodophenyl)butan-2-amine
CID 130053939
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
(2,3-difluorophenyl)methanamine
CID 2736941
1-(2-ethoxyethyl)-2,3-difluorobenzene
CID 57195328
(2S)-4-(2,3-dibromophenyl)butan-2-amine
CID 130665631

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,3-difluorophenyl)butan-2-amine?
The IUPAC name of (2R)-4-(2,3-difluorophenyl)butan-2-amine (CID 93318671) is (2R)-4-(2,3-difluorophenyl)butan-2-amine.
What is the SMILES notation for (2R)-4-(2,3-difluorophenyl)butan-2-amine?
The canonical SMILES for (2R)-4-(2,3-difluorophenyl)butan-2-amine is C[C@@H](N)CCc1cccc(F)c1F.
What is the InChIKey of (2R)-4-(2,3-difluorophenyl)butan-2-amine?
The InChIKey is DWBIWTROUUQESH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7(13)5-6-8-3-2-4-9(11)10(8)12/h2-4,7H,5-6,13H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-4-(2,3-difluorophenyl)butan-2-amine?
(2R)-4-(2,3-difluorophenyl)butan-2-amine has a molecular weight of 185.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,3-difluorophenyl)butan-2-amine is sourced from PubChem (CID 93318671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).