(4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene

C17H17F — CID 137495957

IUPAC(4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
SMILESC[C@@]1(c2ccccc2)CCCc2cc(F)ccc21
InChIInChI=1S/C17H17F/c1-17(14-7-3-2-4-8-14)11-5-6-13-12-15(18)9-10-16(13)17/h2-4,7-10,12H,5-6,11H2,1H3/t17-/m0/s1
InChIKeyVDQWVUNHBPVCJI-KRWDZBQOSA-N
MW240.32 g/mol
LogP4.47
Rot. Bonds1

About (4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene

(4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene (PubChem CID 137495957) has the molecular formula C17H17F and a molecular weight of 240.32 g/mol. Its IUPAC name is (4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name(4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
PubChem CID137495957
Molecular FormulaC17H17F
Molecular Weight240.32 g/mol
Exact Mass240.13
IUPAC Name(4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
SMILESC[C@@]1(c2ccccc2)CCCc2cc(F)ccc21
InChIInChI=1S/C17H17F/c1-17(14-7-3-2-4-8-14)11-5-6-13-12-15(18)9-10-16(13)17/h2-4,7-10,12H,5-6,11H2,1H3/t17-/m0/s1
InChIKeyVDQWVUNHBPVCJI-KRWDZBQOSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of (4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene (CID 137495957) is (4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for (4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for (4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene is C[C@@]1(c2ccccc2)CCCc2cc(F)ccc21.
What is the InChIKey of (4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene?
The InChIKey is VDQWVUNHBPVCJI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17F/c1-17(14-7-3-2-4-8-14)11-5-6-13-12-15(18)9-10-16(13)17/h2-4,7-10,12H,5-6,11H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene?
(4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene has a molecular weight of 240.32 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 137495957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).