(Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine

C12H16FN — CID 135227356

IUPAC(Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine
SMILESC/C=C(\N)c1cccc(C(C)(C)F)c1
InChIInChI=1S/C12H16FN/c1-4-11(14)9-6-5-7-10(8-9)12(2,3)13/h4-8H,14H2,1-3H3/b11-4-
InChIKeyRAANPTMWUHCTSK-WCIBSUBMSA-N
MW193.26 g/mol
LogP3.21
Rot. Bonds2

About (Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine

(Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine (PubChem CID 135227356) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine
PubChem CID135227356
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine
SMILESC/C=C(\N)c1cccc(C(C)(C)F)c1
InChIInChI=1S/C12H16FN/c1-4-11(14)9-6-5-7-10(8-9)12(2,3)13/h4-8H,14H2,1-3H3/b11-4-
InChIKeyRAANPTMWUHCTSK-WCIBSUBMSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine?
The IUPAC name of (Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine (CID 135227356) is (Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine is C/C=C(\N)c1cccc(C(C)(C)F)c1.
What is the InChIKey of (Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine?
The InChIKey is RAANPTMWUHCTSK-WCIBSUBMSA-N. The full InChI is InChI=1S/C12H16FN/c1-4-11(14)9-6-5-7-10(8-9)12(2,3)13/h4-8H,14H2,1-3H3/b11-4-.
What are the key properties of (Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine?
(Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine has a molecular weight of 193.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine is sourced from PubChem (CID 135227356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).