1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine

C10H14FN — CID 161292331

IUPAC1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine
SMILESC=C1C=C(C(C)C)C=CN1CF
InChIInChI=1S/C10H14FN/c1-8(2)10-4-5-12(7-11)9(3)6-10/h4-6,8H,3,7H2,1-2H3
InChIKeyLKUWNVYEBHXFLK-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.84
Rot. Bonds2

About 1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine

1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine (PubChem CID 161292331) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine.

Molecular Properties

Compound Name1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine
PubChem CID161292331
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine
SMILESC=C1C=C(C(C)C)C=CN1CF
InChIInChI=1S/C10H14FN/c1-8(2)10-4-5-12(7-11)9(3)6-10/h4-6,8H,3,7H2,1-2H3
InChIKeyLKUWNVYEBHXFLK-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

CID 13860310
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CID 18958943
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CID 67473380
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CID 67907299
CID 67907299
CID 88500989
CID 88500989
CID 88578859
CID 88578859
CID 89299112
CID 89299112
CID 117878111
CID 117878111
CID 117878183
CID 117878183
CID 123548735
CID 123548735
CID 123629047
CID 123629047
CID 123679769
CID 123679769

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine?
The IUPAC name of 1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine (CID 161292331) is 1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine.
What is the SMILES notation for 1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine?
The canonical SMILES for 1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine is C=C1C=C(C(C)C)C=CN1CF.
What is the InChIKey of 1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine?
The InChIKey is LKUWNVYEBHXFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-8(2)10-4-5-12(7-11)9(3)6-10/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine?
1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine has a molecular weight of 167.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2-methylidene-4-propan-2-ylpyridine is sourced from PubChem (CID 161292331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).