1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol

C15H11F5O — CID 114939506

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1ccc2c3c(cccc13)CC2)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H11F5O/c16-14(17,15(18,19)20)13(21)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13,21H,4-5H2
InChIKeyBLNDIYUOARMANT-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.17
Rot. Bonds2

About 1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol

1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol (PubChem CID 114939506) has the molecular formula C15H11F5O and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
PubChem CID114939506
Molecular FormulaC15H11F5O
Molecular Weight302.24 g/mol
Exact Mass302.07
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1ccc2c3c(cccc13)CC2)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H11F5O/c16-14(17,15(18,19)20)13(21)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13,21H,4-5H2
InChIKeyBLNDIYUOARMANT-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939619
(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
CID 66510294
5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939714
5-(1-bromo-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939778
5-(1-chloro-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939684
1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114939242
1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 79597809
1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol
CID 114939555
(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210
1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol
CID 91678699
(5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 114939575
1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol
CID 114939514

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol (CID 114939506) is 1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol is OC(c1ccc2c3c(cccc13)CC2)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The InChIKey is BLNDIYUOARMANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O/c16-14(17,15(18,19)20)13(21)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13,21H,4-5H2.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol has a molecular weight of 302.24 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol is sourced from PubChem (CID 114939506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).