[3,5-bis(difluoromethyl)phenyl]methanamine

C9H9F4N — CID 139779681

IUPAC[3,5-bis(difluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)F)cc(C(F)F)c1
InChIInChI=1S/C9H9F4N/c10-8(11)6-1-5(4-14)2-7(3-6)9(12)13/h1-3,8-9H,4,14H2
InChIKeyVWJKDWOQVRXQGJ-UHFFFAOYSA-N
MW207.17 g/mol
LogP3.02
Rot. Bonds3

About [3,5-bis(difluoromethyl)phenyl]methanamine

[3,5-bis(difluoromethyl)phenyl]methanamine (PubChem CID 139779681) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is [3,5-bis(difluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-bis(difluoromethyl)phenyl]methanamine
PubChem CID139779681
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name[3,5-bis(difluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)F)cc(C(F)F)c1
InChIInChI=1S/C9H9F4N/c10-8(11)6-1-5(4-14)2-7(3-6)9(12)13/h1-3,8-9H,4,14H2
InChIKeyVWJKDWOQVRXQGJ-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3,5-bis(difluoromethyl)phenyl]propanal
CID 166641239
[4-(difluoromethyl)-6-methyl-2-pyridinyl]methanamine
CID 130097545
[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118831489
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
[3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine
CID 83856265
1-(bromomethyl)-3-chloro-5-(difluoromethyl)benzene
CID 178067006
[4-(difluoromethyl)-3-fluorophenyl]methanamine
CID 84655122
[4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118820122
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
[3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine
CID 121228247
4-(aminomethyl)-2-(difluoromethyl)phenol
CID 84654551
4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118846706

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(difluoromethyl)phenyl]methanamine?
The IUPAC name of [3,5-bis(difluoromethyl)phenyl]methanamine (CID 139779681) is [3,5-bis(difluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3,5-bis(difluoromethyl)phenyl]methanamine?
The canonical SMILES for [3,5-bis(difluoromethyl)phenyl]methanamine is NCc1cc(C(F)F)cc(C(F)F)c1.
What is the InChIKey of [3,5-bis(difluoromethyl)phenyl]methanamine?
The InChIKey is VWJKDWOQVRXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c10-8(11)6-1-5(4-14)2-7(3-6)9(12)13/h1-3,8-9H,4,14H2.
What are the key properties of [3,5-bis(difluoromethyl)phenyl]methanamine?
[3,5-bis(difluoromethyl)phenyl]methanamine has a molecular weight of 207.17 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(difluoromethyl)phenyl]methanamine is sourced from PubChem (CID 139779681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).