1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine

C16H16F3N — CID 114939242

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C16H16F3N/c17-16(18,19)9-8-14(20)12-7-6-11-5-4-10-2-1-3-13(12)15(10)11/h1-3,6-7,14H,4-5,8-9,20H2
InChIKeyCBSHGYXPWWDGFE-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.28
Rot. Bonds3

About 1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine

1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 114939242) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID114939242
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C16H16F3N/c17-16(18,19)9-8-14(20)12-7-6-11-5-4-10-2-1-3-13(12)15(10)11/h1-3,6-7,14H,4-5,8-9,20H2
InChIKeyCBSHGYXPWWDGFE-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(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
1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
CID 114939245
5-(1-bromo-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939778
5-(1-chloro-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939684
5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939619
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
CID 114939227
1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 114939506
methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate
CID 114939383
5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene
CID 114939639
1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine
CID 114939239
(1S)-4,4,4-trifluoro-1-(1H-indol-4-yl)butan-1-amine;hydrochloride
CID 171225086

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine (CID 114939242) is 1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is CBSHGYXPWWDGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c17-16(18,19)9-8-14(20)12-7-6-11-5-4-10-2-1-3-13(12)15(10)11/h1-3,6-7,14H,4-5,8-9,20H2.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine?
1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 4.28, 3 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)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 114939242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).