2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

C13H17FO — CID 117297813

IUPAC2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESCC(CO)c1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H17FO/c1-9(8-15)12-6-10-4-2-3-5-11(10)7-13(12)14/h6-7,9,15H,2-5,8H2,1H3
InChIKeyVVMFKSZDZNNWHO-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.80
Rot. Bonds2

About 2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol (PubChem CID 117297813) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
PubChem CID117297813
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESCC(CO)c1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H17FO/c1-9(8-15)12-6-10-4-2-3-5-11(10)7-13(12)14/h6-7,9,15H,2-5,8H2,1H3
InChIKeyVVMFKSZDZNNWHO-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 83988283
2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 117297814
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325368
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296655
2-(2,3,5-trifluorophenyl)propan-1-ol
CID 59218730
3-amino-3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117319388
2-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 117314688
2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
CID 117113620
6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 171522938
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
2-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 117297811

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The IUPAC name of 2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol (CID 117297813) is 2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol is CC(CO)c1cc2c(cc1F)CCCC2.
What is the InChIKey of 2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The InChIKey is VVMFKSZDZNNWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-9(8-15)12-6-10-4-2-3-5-11(10)7-13(12)14/h6-7,9,15H,2-5,8H2,1H3.
What are the key properties of 2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol has a molecular weight of 208.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 117297813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).