4-(4-chlorophenyl)-3-fluorobutan-2-amine

C10H13ClFN — CID 105454010

IUPAC4-(4-chlorophenyl)-3-fluorobutan-2-amine
SMILESCC(N)C(F)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClFN/c1-7(13)10(12)6-8-2-4-9(11)5-3-8/h2-5,7,10H,6,13H2,1H3
InChIKeyLBTIQDPGQFBOFB-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.57
Rot. Bonds3

About 4-(4-chlorophenyl)-3-fluorobutan-2-amine

4-(4-chlorophenyl)-3-fluorobutan-2-amine (PubChem CID 105454010) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-fluorobutan-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-fluorobutan-2-amine
PubChem CID105454010
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name4-(4-chlorophenyl)-3-fluorobutan-2-amine
SMILESCC(N)C(F)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClFN/c1-7(13)10(12)6-8-2-4-9(11)5-3-8/h2-5,7,10H,6,13H2,1H3
InChIKeyLBTIQDPGQFBOFB-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)propan-2-amine
CID 3127
3-(4-chlorophenyl)-1,1-difluoropropan-2-amine
CID 84673763
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
CID 6927062
3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine
CID 19073696
(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
CID 23404723
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine
CID 107525525
3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 19073662
1-(4-chlorophenyl)pentan-2-amine
CID 60820343
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-fluorobutan-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-fluorobutan-2-amine (CID 105454010) is 4-(4-chlorophenyl)-3-fluorobutan-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-fluorobutan-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-fluorobutan-2-amine is CC(N)C(F)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-fluorobutan-2-amine?
The InChIKey is LBTIQDPGQFBOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-7(13)10(12)6-8-2-4-9(11)5-3-8/h2-5,7,10H,6,13H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-fluorobutan-2-amine?
4-(4-chlorophenyl)-3-fluorobutan-2-amine has a molecular weight of 201.67 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-fluorobutan-2-amine is sourced from PubChem (CID 105454010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).