(4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine

C11H12ClF2NO — CID 68595502

IUPAC(4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine
SMILESN[C@@H]1CC(CF)(CF)Oc2c(Cl)cccc21
InChIInChI=1S/C11H12ClF2NO/c12-8-3-1-2-7-9(15)4-11(5-13,6-14)16-10(7)8/h1-3,9H,4-6,15H2/t9-/m1/s1
InChIKeyWMHRNKLRWVBBPQ-SECBINFHSA-N
MW247.67 g/mol
LogP2.80
Rot. Bonds2

About (4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine

(4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine (PubChem CID 68595502) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is (4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine
PubChem CID68595502
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name(4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine
SMILESN[C@@H]1CC(CF)(CF)Oc2c(Cl)cccc21
InChIInChI=1S/C11H12ClF2NO/c12-8-3-1-2-7-9(15)4-11(5-13,6-14)16-10(7)8/h1-3,9H,4-6,15H2/t9-/m1/s1
InChIKeyWMHRNKLRWVBBPQ-SECBINFHSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68595565
(4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine
CID 59323480
2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine
CID 68596556
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol
CID 68595983
(5S)-9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014554
1-[(4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
CID 46191504
(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 68597601
(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol
CID 130778486
(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104945969
1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83753333
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709400

Frequently Asked Questions

What is the IUPAC name of (4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of (4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine (CID 68595502) is (4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine is N[C@@H]1CC(CF)(CF)Oc2c(Cl)cccc21.
What is the InChIKey of (4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is WMHRNKLRWVBBPQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c12-8-3-1-2-7-9(15)4-11(5-13,6-14)16-10(7)8/h1-3,9H,4-6,15H2/t9-/m1/s1.
What are the key properties of (4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine?
(4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 247.67 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 68595502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).