4,4-bis(3-fluorophenyl)butan-2-amine

C16H17F2N — CID 22708376

IUPAC4,4-bis(3-fluorophenyl)butan-2-amine
SMILESCC(N)CC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-11(19)8-16(12-4-2-6-14(17)9-12)13-5-3-7-15(18)10-13/h2-7,9-11,16H,8,19H2,1H3
InChIKeyMUQMLGUUEJSAQI-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.83
Rot. Bonds4

About 4,4-bis(3-fluorophenyl)butan-2-amine

4,4-bis(3-fluorophenyl)butan-2-amine (PubChem CID 22708376) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 4,4-bis(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name4,4-bis(3-fluorophenyl)butan-2-amine
PubChem CID22708376
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name4,4-bis(3-fluorophenyl)butan-2-amine
SMILESCC(N)CC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H17F2N/c1-11(19)8-16(12-4-2-6-14(17)9-12)13-5-3-7-15(18)10-13/h2-7,9-11,16H,8,19H2,1H3
InChIKeyMUQMLGUUEJSAQI-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(3-fluorophenyl)butan-2-amine?
The IUPAC name of 4,4-bis(3-fluorophenyl)butan-2-amine (CID 22708376) is 4,4-bis(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for 4,4-bis(3-fluorophenyl)butan-2-amine?
The canonical SMILES for 4,4-bis(3-fluorophenyl)butan-2-amine is CC(N)CC(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 4,4-bis(3-fluorophenyl)butan-2-amine?
The InChIKey is MUQMLGUUEJSAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11(19)8-16(12-4-2-6-14(17)9-12)13-5-3-7-15(18)10-13/h2-7,9-11,16H,8,19H2,1H3.
What are the key properties of 4,4-bis(3-fluorophenyl)butan-2-amine?
4,4-bis(3-fluorophenyl)butan-2-amine has a molecular weight of 261.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 22708376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).