(3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol

C16H18FNO — CID 164626099

IUPAC(3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CN2C[C@H](O)[C@@H](F)C2)c2ccccc12
InChIInChI=1S/C16H18FNO/c1-11-6-7-12(14-5-3-2-4-13(11)14)8-18-9-15(17)16(19)10-18/h2-7,15-16,19H,8-10H2,1H3/t15-,16-/m0/s1
InChIKeyXEQAVIQKMKDIHC-HOTGVXAUSA-N
MW259.32 g/mol
LogP2.66
Rot. Bonds2

About (3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol

(3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol (PubChem CID 164626099) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol
PubChem CID164626099
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CN2C[C@H](O)[C@@H](F)C2)c2ccccc12
InChIInChI=1S/C16H18FNO/c1-11-6-7-12(14-5-3-2-4-13(11)14)8-18-9-15(17)16(19)10-18/h2-7,15-16,19H,8-10H2,1H3/t15-,16-/m0/s1
InChIKeyXEQAVIQKMKDIHC-HOTGVXAUSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol (CID 164626099) is (3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol is Cc1ccc(CN2C[C@H](O)[C@@H](F)C2)c2ccccc12.
What is the InChIKey of (3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol?
The InChIKey is XEQAVIQKMKDIHC-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-6-7-12(14-5-3-2-4-13(11)14)8-18-9-15(17)16(19)10-18/h2-7,15-16,19H,8-10H2,1H3/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol?
(3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol has a molecular weight of 259.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 164626099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).