8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol

C16H18FNO — CID 178091318

IUPAC8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol
SMILESOc1cccc2cccc(CCN3CC[C@@H](F)C3)c12
InChIInChI=1S/C16H18FNO/c17-14-8-10-18(11-14)9-7-13-4-1-3-12-5-2-6-15(19)16(12)13/h1-6,14,19H,7-11H2/t14-/m1/s1
InChIKeyQRWUHYZAJVNINA-CQSZACIVSA-N
MW259.32 g/mol
LogP3.13
Rot. Bonds3

About 8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol

8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol (PubChem CID 178091318) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol
PubChem CID178091318
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol
SMILESOc1cccc2cccc(CCN3CC[C@@H](F)C3)c12
InChIInChI=1S/C16H18FNO/c17-14-8-10-18(11-14)9-7-13-4-1-3-12-5-2-6-15(19)16(12)13/h1-6,14,19H,7-11H2/t14-/m1/s1
InChIKeyQRWUHYZAJVNINA-CQSZACIVSA-N
XLogP3.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-yl]oxy-5-oxopentanoic acid
CID 178091400
4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine
CID 71029929
(3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine
CID 178091359
[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine
CID 81427571
5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
CID 176690583
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
CID 130667245
2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine
CID 90305502
2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
CID 62497247
3-[2-(3-fluoropyrrolidin-1-yl)ethoxy]benzoic acid
CID 77441688
2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930326
3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol
CID 166629733

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol?
The IUPAC name of 8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol (CID 178091318) is 8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol.
What is the SMILES notation for 8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol?
The canonical SMILES for 8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol is Oc1cccc2cccc(CCN3CC[C@@H](F)C3)c12.
What is the InChIKey of 8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol?
The InChIKey is QRWUHYZAJVNINA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18FNO/c17-14-8-10-18(11-14)9-7-13-4-1-3-12-5-2-6-15(19)16(12)13/h1-6,14,19H,7-11H2/t14-/m1/s1.
What are the key properties of 8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol?
8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol has a molecular weight of 259.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol is sourced from PubChem (CID 178091318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).