1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene

C14H14F2 — CID 166807134

IUPAC1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene
SMILESC=C1C(C(C)C)=Cc2ccccc2C1(F)F
InChIInChI=1S/C14H14F2/c1-9(2)12-8-11-6-4-5-7-13(11)14(15,16)10(12)3/h4-9H,3H2,1-2H3
InChIKeySNHJSXGSULATBJ-UHFFFAOYSA-N
MW220.26 g/mol
LogP4.39
Rot. Bonds1

About 1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene

1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene (PubChem CID 166807134) has the molecular formula C14H14F2 and a molecular weight of 220.26 g/mol. Its IUPAC name is 1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene
PubChem CID166807134
Molecular FormulaC14H14F2
Molecular Weight220.26 g/mol
Exact Mass220.11
IUPAC Name1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene
SMILESC=C1C(C(C)C)=Cc2ccccc2C1(F)F
InChIInChI=1S/C14H14F2/c1-9(2)12-8-11-6-4-5-7-13(11)14(15,16)10(12)3/h4-9H,3H2,1-2H3
InChIKeySNHJSXGSULATBJ-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123480642
1,1-diiodo-2-propan-2-ylindene
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ethane;9-fluoro-9-methylfluorene
CID 163249751
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
benzene;ethane;bis(2-methylpropane);naphthalene
CID 159562136
9-(difluoromethyl)-9-methylfluorene
CID 138967571
1,3-dimethyl-1-[(Z)-pent-3-en-2-yl]naphthalen-2-one
CID 177431210
1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one
CID 14379872
1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one
CID 132585018
ethane;9-(4-methylphenyl)fluoren-9-ol
CID 91233628
9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
4b-methyl-5H-indeno[1,2-b]indole
CID 151328364

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene?
The IUPAC name of 1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene (CID 166807134) is 1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene.
What is the SMILES notation for 1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene?
The canonical SMILES for 1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene is C=C1C(C(C)C)=Cc2ccccc2C1(F)F.
What is the InChIKey of 1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene?
The InChIKey is SNHJSXGSULATBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2/c1-9(2)12-8-11-6-4-5-7-13(11)14(15,16)10(12)3/h4-9H,3H2,1-2H3.
What are the key properties of 1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene?
1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene has a molecular weight of 220.26 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylidene-3-propan-2-ylnaphthalene is sourced from PubChem (CID 166807134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).